![CAS 1250996-75-8 2-(3-(tert-Butoxycarbonyl)-3-azabicyclo[3.2.1]octan-8-yl)acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1250996-75-8.gif)
CAS RN: 1250996-75-8
2-(3-(tert-Butoxycarbonyl)-3-azabicyclo[3.2.1]octan-8-yl)acetic acid
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251208 | 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-029630
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
1250996-75-8 / 2-[3-[(2-methylpropan-2-yl)oxycarbonyl]-3-azabicyclo[3.2.1]octan-8-yl]acetic acid
Basic Information
CAS
1250996-75-8
Multi CAS
No
Molecular Formula
C14H23NO4
Molecular Weight
269.340000
Exact Mass
269.162708
SMILES
CC(C)(C)OC(=O)N1CC2CCC(C1)C2CC(=O)O
InChI
InChI=1S/C14H23NO4/c1-14(2,3)19-13(18)15-7-9-4-5-10(8-15)11(9)6-12(16)17/h9-11H,4-8H2,1-3H3,(H,16,17)
InChIKey
DCRMSHLCTZMJHG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Fraction Csp3
0.86
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
69.76
TPSA
66.84
LogP / Solubility
WLOGP
2.35
MLOGP
2.08
XLogP3
1.6
Consensus LogP
2.01
Log S (ESOL)
-2.86
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.47
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
4.5
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